C189H163N12Pt3Si-9 — CID 162279246
2-[5-[3-(3-benzyl-2H-benzimidazol-2-id-1-yl)-5-tert-butylbenzene-2-id-1-yl]benzo[b][1]benzosilol-5-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[9-[3-(3-benzyl-2H-benzimidazol-2-id-1-yl)-5-tert-butylbenzene-2-id-1-yl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;2-[9-[3-(3-benzyl-2H-benzimidazol-2-id-1-yl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 162279246) has the molecular formula C189H163N12Pt3Si-9 and a molecular weight of 3215.79 g/mol. Its IUPAC name is 2-[5-[3-(3-benzyl-2H-benzimidazol-2-id-1-yl)-5-tert-butylbenzene-2-id-1-yl]benzo[b][1]benzosilol-5-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[9-[3-(3-benzyl-2H-benzimidazol-2-id-1-yl)-5-tert-butylbenzene-2-id-1-yl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;2-[9-[3-(3-benzyl-2H-benzimidazol-2-id-1-yl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.
| Compound Name | 2-[5-[3-(3-benzyl-2H-benzimidazol-2-id-1-yl)-5-tert-butylbenzene-2-id-1-yl]benzo[b][1]benzosilol-5-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[9-[3-(3-benzyl-2H-benzimidazol-2-id-1-yl)-5-tert-butylbenzene-2-id-1-yl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;2-[9-[3-(3-benzyl-2H-benzimidazol-2-id-1-yl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum |
|---|---|
| PubChem CID | 162279246 |
| Molecular Formula | C189H163N12Pt3Si-9 |
| Molecular Weight | 3215.79 g/mol |
| Exact Mass | 3213.19 |
| IUPAC Name | 2-[5-[3-(3-benzyl-2H-benzimidazol-2-id-1-yl)-5-tert-butylbenzene-2-id-1-yl]benzo[b][1]benzosilol-5-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[9-[3-(3-benzyl-2H-benzimidazol-2-id-1-yl)-5-tert-butylbenzene-2-id-1-yl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;2-[9-[3-(3-benzyl-2H-benzimidazol-2-id-1-yl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum |
| SMILES | CC(C)(C)c1cc(N2[CH-]N(Cc3ccccc3)c3ccccc32)[c-]c(C2(c3[c-]c4c(cc3)c3cc(-c5ccccc5)ccc3n4-c3cc(C(C)(C)C)ccn3)c3ccccc3-c3ccccc32)c1.CC(C)(C)c1cc(N2[CH-]N(Cc3ccccc3)c3ccccc32)[c-]c([Si]2(c3[c-]c4c(cc3)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)c3ccccc3-c3ccccc32)c1.CC(C)(C)c1ccnc(-n2c3[c-]c(C4(c5[c-]c(N6[CH-]N(Cc7ccccc7)c7ccccc76)cc(-c6ccccc6)c5)c5ccccc5-c5ccccc54)ccc3c3cc(C(C)(C)C)ccc32)c1.[Pt].[Pt].[Pt] |
| InChI | InChI=1S/2C64H53N4.C61H57N4Si.3Pt/c1-62(2,3)46-33-34-65-61(40-46)68-57-32-29-45(44-21-11-8-12-22-44)35-54(57)53-31-30-47(39-60(53)68)64(55-25-15-13-23-51(55)52-24-14-16-26-56(52)64)49-36-48(63(4,5)6)37-50(38-49)67-42-66(41-43-19-9-7-10-20-43)58-27-17-18-28-59(58)67;1-62(2,3)46-30-32-57-54(38-46)53-31-29-48(39-60(53)68(57)61-40-47(33-34-65-61)63(4,5)6)64(55-25-15-13-23-51(55)52-24-14-16-26-56(52)64)49-35-45(44-21-11-8-12-22-44)36-50(37-49)67-42-66(41-43-19-9-7-10-20-43)58-27-17-18-28-59(58)67;1-59(2,3)42-27-30-52-51(35-42)48-29-28-46(38-55(48)65(52)58-36-43(31-32-62-58)60(4,5)6)66(56-25-17-13-21-49(56)50-22-14-18-26-57(50)66)47-34-44(61(7,8)9)33-45(37-47)64-40-63(39-41-19-11-10-12-20-41)53-23-15-16-24-54(53)64;;;/h7-37,40,42H,41H2,1-6H3;7-36,38,40,42H,41H2,1-6H3;10-36,40H,39H2,1-9H3;;;/q3*-3;;; |
| InChIKey | OJURRXCTOHFRMH-UHFFFAOYSA-N |
| XLogP | 43.66 |
| TPSA | 72.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 205 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3215.79 |
| LogP ≤ 5 | 43.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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